N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide

C11H9ClFN3O2S — CID 116798756

IUPACN-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)Nc1ccnc(Cl)n1
InChIInChI=1S/C11H9ClFN3O2S/c12-11-14-6-5-10(15-11)16-19(17,18)7-8-1-3-9(13)4-2-8/h1-6H,7H2,(H,14,15,16)
InChIKeyXWJQSUJJDCKUQH-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.21
Rot. Bonds4

About N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide

N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 116798756) has the molecular formula C11H9ClFN3O2S and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID116798756
Molecular FormulaC11H9ClFN3O2S
Molecular Weight301.73 g/mol
Exact Mass301.01
IUPAC NameN-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)Nc1ccnc(Cl)n1
InChIInChI=1S/C11H9ClFN3O2S/c12-11-14-6-5-10(15-11)16-19(17,18)7-8-1-3-9(13)4-2-8/h1-6H,7H2,(H,14,15,16)
InChIKeyXWJQSUJJDCKUQH-UHFFFAOYSA-N
XLogP2.21
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide
CID 103944038
1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide
CID 86804588
N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide
CID 116798729
N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide
CID 116798844
2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
CID 116795250
2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine
CID 114813679
ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate
CID 116798767
3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid
CID 63260397
1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115698303
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
5-amino-N-(2-chloropyrimidin-4-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 116794695

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide (CID 116798756) is N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)Nc1ccnc(Cl)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is XWJQSUJJDCKUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2S/c12-11-14-6-5-10(15-11)16-19(17,18)7-8-1-3-9(13)4-2-8/h1-6H,7H2,(H,14,15,16).
What are the key properties of N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide?
N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 301.73 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 116798756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).